REMARK  Name = BDB049769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.019  -0.433   0.286  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.291  -1.376   0.025  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -6.096   0.080   0.536  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -5.253  -0.336  -0.505  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -3.873  -0.356  -0.294  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -3.316   0.041   0.950  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -4.165   0.476   1.974  0.00  0.00    +0.080 A 
ATOM      8  N   LIG    1       -3.713   0.887   3.161  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.388   0.874   3.338  0.00  0.00    +0.223 A 
ATOM     10  N   LIG    1       -1.478   0.477   2.446  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -1.939   0.049   1.257  0.00  0.00    +0.134 A 
ATOM     12  C   LIG    1       -5.537   0.484   1.754  0.00  0.00    +0.078 A 
BRANCH   3  14
ATOM     13  C   LIG    1       -8.328   0.481   1.296  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -7.442   0.067   0.266  0.00  0.00    -0.491 OA
ENDBRANCH   3  14
BRANCH   4  15
ATOM     15  O   LIG    1       -5.867  -0.709  -1.673  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -5.043  -0.986  -2.797  0.00  0.00    +0.277 C 
ENDBRANCH   4  15
ENDBRANCH   1  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.385  -0.280   0.255  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        1.039   0.827   0.802  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.430   0.982   0.691  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        3.211   0.043   0.004  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        2.544  -1.046  -0.579  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        1.156  -1.198  -0.466  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        4.678   0.146  -0.150  0.00  0.00    +0.109 A 
ATOM     24  S   LIG    1        5.598   1.371   0.640  0.00  0.00    -0.067 S 
ATOM     25  C   LIG    1        7.046   0.757  -0.050  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.735  -0.348  -0.840  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1        7.779  -1.019  -1.509  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        9.096  -0.569  -1.372  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        9.383   0.537  -0.578  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.365   1.219   0.096  0.00  0.00    +0.017 A 
ATOM     31  N   LIG    1        5.394  -0.684  -0.886  0.00  0.00    -0.239 NA
ENDBRANCH  20  23
ENDBRANCH   1  17
TORSDOF 5